[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate

C20H25NO7 — CID 18202221

About [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate

[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate (PubChem CID 18202221) has the molecular formula C20H25NO7 and a molecular weight of 391.42 g/mol. Its IUPAC name is [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate.

Molecular Properties

• Compound Name: [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
• PubChem CID: 18202221
• Molecular Formula: C20H25NO7
• Molecular Weight: 391.42 g/mol
• Exact Mass: 391.16
• IUPAC Name: [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
• SMILES: CCC(C)C(NC(=O)COC(=O)c1oc2ccccc2c1COC)C(=O)OC
• InChI: InChI=1S/C20H25NO7/c1-5-12(2)17(19(23)26-4)21-16(22)11-27-20(24)18-14(10-25-3)13-8-6-7-9-15(13)28-18/h6-9,12,17H,5,10-11H2,1-4H3,(H,21,22)
• InChIKey: IZXYEUYJMFGLPU-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 104.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.42
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate?

The IUPAC name of [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate (CID 18202221) is [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate.

What is the SMILES notation for [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate?

The canonical SMILES for [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate is CCC(C)C(NC(=O)COC(=O)c1oc2ccccc2c1COC)C(=O)OC.

What is the InChIKey of [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate?

The InChIKey is IZXYEUYJMFGLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO7/c1-5-12(2)17(19(23)26-4)21-16(22)11-27-20(24)18-14(10-25-3)13-8-6-7-9-15(13)28-18/h6-9,12,17H,5,10-11H2,1-4H3,(H,21,22).

What are the key properties of [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate?

[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate has a molecular weight of 391.42 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 18202221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).